8-(methoxycarbamoyl)naphthalene-1-carboxylic acid

C13H11NO4 — CID 64974107

IUPAC8-(methoxycarbamoyl)naphthalene-1-carboxylic acid
SMILESCONC(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C13H11NO4/c1-18-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyOSESLQWPVRGVJD-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.83
Rot. Bonds3

About 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid

8-(methoxycarbamoyl)naphthalene-1-carboxylic acid (PubChem CID 64974107) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(methoxycarbamoyl)naphthalene-1-carboxylic acid
PubChem CID64974107
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name8-(methoxycarbamoyl)naphthalene-1-carboxylic acid
SMILESCONC(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C13H11NO4/c1-18-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyOSESLQWPVRGVJD-UHFFFAOYSA-N
XLogP1.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-(methylsulfonyloxycarbamoyl)naphthalene-1-carboxylic acid
CID 141047420
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
N-methoxy-2-(N-methylanilino)benzamide
CID 47216174
8-(pentylcarbamoyl)naphthalene-1-carboxylic acid
CID 4638443
8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid
CID 43396392
8-[[(2R)-1-hydroxybutan-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 107214770
8-acetamidonaphthalene-1-carboxylic acid
CID 163232881
8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid
CID 66178018
8-(2-sulfoethylcarbamoyl)naphthalene-1-carboxylic acid
CID 87260631
3-chloro-N-methoxy-2-methylbenzamide
CID 107097630

Frequently Asked Questions

What is the IUPAC name of 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid (CID 64974107) is 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid is CONC(=O)c1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid?
The InChIKey is OSESLQWPVRGVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-18-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid?
8-(methoxycarbamoyl)naphthalene-1-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxycarbamoyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 64974107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).